2-hydroxy-5-methyl-N-(3-methylsulfinylbutyl)benzamide

C13H19NO3S — CID 115735985

IUPAC2-hydroxy-5-methyl-N-(3-methylsulfinylbutyl)benzamide
SMILESCc1ccc(O)c(C(=O)NCCC(C)S(C)=O)c1
InChIInChI=1S/C13H19NO3S/c1-9-4-5-12(15)11(8-9)13(16)14-7-6-10(2)18(3)17/h4-5,8,10,15H,6-7H2,1-3H3,(H,14,16)
InChIKeyFCWOAQCLFPTRQJ-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.59
Rot. Bonds5

About 2-hydroxy-5-methyl-N-(3-methylsulfinylbutyl)benzamide

2-hydroxy-5-methyl-N-(3-methylsulfinylbutyl)benzamide (PubChem CID 115735985) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 2-hydroxy-5-methyl-N-(3-methylsulfinylbutyl)benzamide.

Molecular Properties

Compound Name2-hydroxy-5-methyl-N-(3-methylsulfinylbutyl)benzamide
PubChem CID115735985
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC Name2-hydroxy-5-methyl-N-(3-methylsulfinylbutyl)benzamide
SMILESCc1ccc(O)c(C(=O)NCCC(C)S(C)=O)c1
InChIInChI=1S/C13H19NO3S/c1-9-4-5-12(15)11(8-9)13(16)14-7-6-10(2)18(3)17/h4-5,8,10,15H,6-7H2,1-3H3,(H,14,16)
InChIKeyFCWOAQCLFPTRQJ-UHFFFAOYSA-N
XLogP1.59
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-5-methyl-N-[3-(methylamino)propyl]benzamide
CID 43600759
3-amino-N-(3-methylsulfinylbutyl)naphthalene-2-carboxamide
CID 115734819
2-hydroxy-5-methyl-N-[2-(propylamino)ethyl]benzamide
CID 55100965
2-bromo-N-(3-methylsulfinylbutyl)-5-sulfamoylbenzamide
CID 115729445
N-(3-bromo-2-methylpropyl)-2-hydroxy-5-methylbenzamide
CID 114313317
3-bromo-5-methyl-N-[(3S)-3-[(R)-methylsulfinyl]butyl]benzamide
CID 99626131
3-bromo-5-methyl-N-[(3S)-3-[(S)-methylsulfinyl]butyl]benzamide
CID 99626128
2-hydroxy-N-[2-(2-methoxyethylamino)ethyl]-5-methylbenzamide
CID 83039378
N-[2-[2-(dimethylamino)ethoxy]ethyl]-2-hydroxy-5-methylbenzamide
CID 103939801
4-chloro-N-(3-methylsulfinylbutyl)pyridine-3-carboxamide
CID 115869248
N-(4-bromobutan-2-yl)-2-hydroxy-5-methylbenzamide
CID 83180515
3-methyl-N-(3-methylsulfinylbutyl)thiophene-2-carboxamide
CID 71847384

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-methyl-N-(3-methylsulfinylbutyl)benzamide?
The IUPAC name of 2-hydroxy-5-methyl-N-(3-methylsulfinylbutyl)benzamide (CID 115735985) is 2-hydroxy-5-methyl-N-(3-methylsulfinylbutyl)benzamide.
What is the SMILES notation for 2-hydroxy-5-methyl-N-(3-methylsulfinylbutyl)benzamide?
The canonical SMILES for 2-hydroxy-5-methyl-N-(3-methylsulfinylbutyl)benzamide is Cc1ccc(O)c(C(=O)NCCC(C)S(C)=O)c1.
What is the InChIKey of 2-hydroxy-5-methyl-N-(3-methylsulfinylbutyl)benzamide?
The InChIKey is FCWOAQCLFPTRQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-9-4-5-12(15)11(8-9)13(16)14-7-6-10(2)18(3)17/h4-5,8,10,15H,6-7H2,1-3H3,(H,14,16).
What are the key properties of 2-hydroxy-5-methyl-N-(3-methylsulfinylbutyl)benzamide?
2-hydroxy-5-methyl-N-(3-methylsulfinylbutyl)benzamide has a molecular weight of 269.37 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-methyl-N-(3-methylsulfinylbutyl)benzamide is sourced from PubChem (CID 115735985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).